1,3-benzoxazin-2-one;hydrochloride

C8H6ClNO2 — CID 70077294

IUPAC1,3-benzoxazin-2-one;hydrochloride
SMILESCl.O=c1ncc2ccccc2o1
InChIInChI=1S/C8H5NO2.ClH/c10-8-9-5-6-3-1-2-4-7(6)11-8;/h1-5H;1H
InChIKeyCZLZPUDSGSGCSG-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.61
Rot. Bonds

About 1,3-benzoxazin-2-one;hydrochloride

1,3-benzoxazin-2-one;hydrochloride (PubChem CID 70077294) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 1,3-benzoxazin-2-one;hydrochloride.

Molecular Properties

Compound Name1,3-benzoxazin-2-one;hydrochloride
PubChem CID70077294
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name1,3-benzoxazin-2-one;hydrochloride
SMILESCl.O=c1ncc2ccccc2o1
InChIInChI=1S/C8H5NO2.ClH/c10-8-9-5-6-3-1-2-4-7(6)11-8;/h1-5H;1H
InChIKeyCZLZPUDSGSGCSG-UHFFFAOYSA-N
XLogP1.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazin-2-one;hydrochloride?
The IUPAC name of 1,3-benzoxazin-2-one;hydrochloride (CID 70077294) is 1,3-benzoxazin-2-one;hydrochloride.
What is the SMILES notation for 1,3-benzoxazin-2-one;hydrochloride?
The canonical SMILES for 1,3-benzoxazin-2-one;hydrochloride is Cl.O=c1ncc2ccccc2o1.
What is the InChIKey of 1,3-benzoxazin-2-one;hydrochloride?
The InChIKey is CZLZPUDSGSGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.ClH/c10-8-9-5-6-3-1-2-4-7(6)11-8;/h1-5H;1H.
What are the key properties of 1,3-benzoxazin-2-one;hydrochloride?
1,3-benzoxazin-2-one;hydrochloride has a molecular weight of 183.59 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazin-2-one;hydrochloride is sourced from PubChem (CID 70077294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).